N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide

C11H10FN3O2 — CID 166783294

IUPACN-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide
SMILESCOc1cc(C(=O)NF)cc2cc(C)nnc12
InChIInChI=1S/C11H10FN3O2/c1-6-3-7-4-8(11(16)13-12)5-9(17-2)10(7)15-14-6/h3-5H,1-2H3,(H,13,16)
InChIKeyMKBFANIXQMIKLA-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.56
Rot. Bonds2

About N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide

N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide (PubChem CID 166783294) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide.

Molecular Properties

Compound NameN-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide
PubChem CID166783294
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC NameN-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide
SMILESCOc1cc(C(=O)NF)cc2cc(C)nnc12
InChIInChI=1S/C11H10FN3O2/c1-6-3-7-4-8(11(16)13-12)5-9(17-2)10(7)15-14-6/h3-5H,1-2H3,(H,13,16)
InChIKeyMKBFANIXQMIKLA-UHFFFAOYSA-N
XLogP1.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide?
The IUPAC name of N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide (CID 166783294) is N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide.
What is the SMILES notation for N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide?
The canonical SMILES for N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide is COc1cc(C(=O)NF)cc2cc(C)nnc12.
What is the InChIKey of N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide?
The InChIKey is MKBFANIXQMIKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-6-3-7-4-8(11(16)13-12)5-9(17-2)10(7)15-14-6/h3-5H,1-2H3,(H,13,16).
What are the key properties of N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide?
N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-8-methoxy-3-methylcinnoline-6-carboxamide is sourced from PubChem (CID 166783294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).